Crystallography Open Database

Information card for entry 7064048

Preview

Coordinates	7064048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Cl5 Fe N5 P3
Calculated formula	C21 H23 Cl5 Fe N5 P3
Title of publication	Phosphorus–nitrogen compounds. Part 80. Design and synthesis of hybrid multiheterocyclic cyclotriphosphazene conjugates bearing unsymmetrical pendant arms: spectral and crystallographic characterization, bioactivity and structure–activity relationship (SAR) studies
Authors of publication	Cemaloğlu, Reşit; Uzunalioğlu, Neşe; Akbaş, Hüseyin; Asmafiliz, Nuran; Kılıç, Zeynel; Sabah, Büşra Nur; Açık, Leyla; Hökelek, Tuncer
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	36
Pages of publication	15866 - 15884
a	8.9055 ± 0.0003 Å
b	10.1484 ± 0.0003 Å
c	16.3042 ± 0.0004 Å
α	72.495 ± 0.002°
β	77.85 ± 0.003°
γ	70.513 ± 0.002°
Cell volume	1314.81 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302386 (current)	2025-10-05	cif/ Adding structures of 7064048, 7064049, 7064050 via cif-deposit CGI script.	7064048.cif